Structure of PDB 5dvv Chain A Binding Site BS02

Receptor Information
>5dvv Chain A (length=209) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LTADQMVSALLDAEPPILYSEASMMGLLTNLADRELVHMINWAKRVPGFV
DLTLHDQVHLLECAWLEILMIGLVWRSMEHPGKLLFAPNLLLDRVEIFDM
LLATSSRFRMMNLQGEEFVCLKSIILLNSGVYTKSLEEKDHIHRVLDKIT
DTLIHLMAKAGLTLQQQHQRLAQLLLILSHIRHMSNKGMEHLYSVPLSDL
LLEMLDAHR
Ligand information
Ligand ID5G6
InChIInChI=1S/C19H15NO2/c21-17-10-6-14(7-11-17)19(15-8-12-18(22)13-9-15)20-16-4-2-1-3-5-16/h1-13,21-22H
InChIKeyMGFIKZPNBCCIOL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.9.2c1ccc(cc1)N=C(c2ccc(cc2)O)c3ccc(cc3)O
CACTVS 3.385Oc1ccc(cc1)C(=Nc2ccccc2)c3ccc(O)cc3
ACDLabs 12.01Oc3ccc(\C(=N/c1ccccc1)c2ccc(O)cc2)cc3
FormulaC19 H15 N O2
Name4,4'-(phenylcarbonimidoyl)diphenol
ChEMBLCHEMBL3234612
DrugBank
ZINCZINC000169310315
PDB chain5dvv Chain A Residue 900 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB5dvv Predictive features of ligand-specific signaling through the estrogen receptor.
Resolution2.505 Å
Binding residue
(original residue number in PDB)		T347 A350 E353 L387 G521 L525
Binding residue
(residue number reindexed from 1)		T29 A32 E35 L69 G188 L192
Annotation score1
Binding affinityBindingDB: EC50=3.0nM
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:5dvv, PDBe:5dvv, PDBj:5dvv
PDBsum5dvv
PubMed27107013
UniProtP03372|ESR1_HUMAN Estrogen receptor (Gene Name=ESR1)

[Back to BioLiP]